ISISNeutronMuon / MDANSE

MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
18 stars 4 forks source link

[ENHANCEMENT] Set the maximum r value with the PDF job. #462

Closed ChiCheng45 closed 2 weeks ago

ChiCheng45 commented 3 weeks ago

Is your feature request related to a problem? Please describe. Beyond a specific length, the calculated PDF and other functions are not useful as they begin to add distances that go beyond the box length.

Describe the solution you'd like Set the maximum length that the r value setting can be based on the unit cell axis lengths.